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100   $a20180331d2014      uy         0
101 0 $aeng
135   $aur|n|---|||||
181   $ctxt
182   $cc
183   $acr
200 00$aMetal-organic frameworks $ematerials modeling towards engineering applications /$fedited by Jianwen Jiang
205   $a1st ed.
210  1$a[Singapore] :$cPan Stanford,$d2014.
215   $a1 online resource (572 p.)
300   $aDescription based upon print version of record.
311 08$a981-4613-45-2 
320   $aIncludes bibliographical references at the end of each chapters.
327   $a""Cover""; ""Contents""; ""Foreword""; ""Preface""; ""Chapter 1: Computational Approaches to the Design, Crystal Structure Prediction, and Structurea???Property Relationships of Metala???Organic Frameworks""; ""Chapter 2: On the Application of Classical Molecular Simulations of Adsorption in Metala???Organic Frameworks""; ""Chapter 3: Modeling the Adsorption of Small Molecules at Coordinatively Unsaturated Metal Sites: Density Functional Theory and Molecular Mechanics Approaches""
327   $a""Chapter 4: Accurate ab initio Description of Adsorption on Coordinatively Unsaturated Sites in Metala???Organic Frameworks""""Chapter 5: Modeling Sorbate Equilibria and Transport in Porous Coordination Polymers""; ""Chapter 6: Modeling Quantum Effects on Adsorption and Diffusion of Hydrogen in Metala???Organic Frameworks""; ""Chapter 7: Molecular Modeling of Gas Separation in Metala???Organic Frameworks""; ""Chapter 8: Molecular Modeling of Metala???Organic Frameworks for Carbon Dioxide Separation Applications""; ""Chapter 9: Modeling of Zeolitic-Like Hybrid Materials for Gas Separation""
327   $a""Chapter 10: Modeling Adsorptive Separations Using Metala???Organic Frameworks""""Chapter 11: Computer Simulations of Ionic Metala???Organic Frameworks""; ""Chapter 12: Computational Modeling of Catalysis in Metala???Organic Frameworks""; ""Chapter 13: Modeled Catalytic Properties of MOF-Based Compounds""; ""Back Cover""
330   $aMetal-organic frameworks (MOFs) have emerged as a new family of nanoporous materials. With an enormous choice of inorganic/organic building blocks, MOFs possess a wide range of surface area, pore size, and functionality and, thus, have been considered versatile materials for many potential applications. This book presents a broad collection of rece
606   $aOrganometallic compounds$xIndustrial applications
606   $aPorous materials$xIndustrial applications
606   $aOrganometallic compounds$xMathematical models
606   $aPorous materials$xMathematical models
606   $aSupramolecular organometallic chemistry
615  0$aOrganometallic compounds$xIndustrial applications.
615  0$aPorous materials$xIndustrial applications.
615  0$aOrganometallic compounds$xMathematical models.
615  0$aPorous materials$xMathematical models.
615  0$aSupramolecular organometallic chemistry.
676   $a661.895
702   $aJiang$b Jianwen
801  0$bFlBoTFG
801  1$bFlBoTFG
906   $aBOOK
912   $a9910971625803321
996   $aMetal-Organic Frameworks$91971510
997   $aUNINA